2-(methylamino)-N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]acetamide;hydrochloride

C16H27ClN2O2 — CID 119779272

IUPAC2-(methylamino)-N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]acetamide;hydrochloride
SMILESCNCC(=O)NC(C)(C)c1ccc(OCC(C)C)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-12(2)11-20-14-8-6-13(7-9-14)16(3,4)18-15(19)10-17-5;/h6-9,12,17H,10-11H2,1-5H3,(H,18,19);1H
InChIKeyAJWQBIDMICXSLD-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.71
Rot. Bonds7

About 2-(methylamino)-N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]acetamide;hydrochloride

2-(methylamino)-N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]acetamide;hydrochloride (PubChem CID 119779272) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]acetamide;hydrochloride
PubChem CID119779272
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name2-(methylamino)-N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]acetamide;hydrochloride
SMILESCNCC(=O)NC(C)(C)c1ccc(OCC(C)C)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-12(2)11-20-14-8-6-13(7-9-14)16(3,4)18-15(19)10-17-5;/h6-9,12,17H,10-11H2,1-5H3,(H,18,19);1H
InChIKeyAJWQBIDMICXSLD-UHFFFAOYSA-N
XLogP2.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide
CID 110440877
N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119938942
4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930158
2-(cyclopropylmethylamino)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]acetamide
CID 119778674
N-(1-amino-2-methylpropan-2-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119522662
3-amino-2-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide;hydrochloride
CID 120500609
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 95445371
2-[4-(2-methylpropoxy)phenyl]propan-2-amine
CID 50988085
N-tert-butyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820536
(2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide
CID 86813594
N-(1-amino-2-methylpropan-2-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 119522663

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]acetamide;hydrochloride (CID 119779272) is 2-(methylamino)-N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]acetamide;hydrochloride is CNCC(=O)NC(C)(C)c1ccc(OCC(C)C)cc1.Cl.
What is the InChIKey of 2-(methylamino)-N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]acetamide;hydrochloride?
The InChIKey is AJWQBIDMICXSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-12(2)11-20-14-8-6-13(7-9-14)16(3,4)18-15(19)10-17-5;/h6-9,12,17H,10-11H2,1-5H3,(H,18,19);1H.
What are the key properties of 2-(methylamino)-N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]acetamide;hydrochloride?
2-(methylamino)-N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]acetamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 119779272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).